Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-59744
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Tl', 'Cd', 'N', 'O']
  • Chemical System: Cd-N-O-Tl
  • Density: 3.8939615346545633
  • Atomic Density: 0.05671585400390917
  • Unit Cell Volume: 193.94929677408754
  • Molar Volume: 10.618090595241537
  • Full Formula: Tl1 Cd1 N3 O6
  • Reduced Formula: TlCd(NO2)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3